ethyl 1-[(2-nitrophenyl)carbonylcarbamothioyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2-nitrophenyl)carbonylcarbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2-nitrobenzoyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[[[(2-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-nitrobenzoyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(2-nitrobenzoyl)thiocarbamoyl]isonipecotic acid ethyl ester Formula: C16H19N3O5S MolecularWeight: 365.40416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O5S/c1-2-24-15(21)11-7-9-18(10-8-11)16(25)17-14(20)12-5-3-4-6-13(12)19(22)23/h3-6,11H,2,7-10H2,1H3,(H,17,20,25)